1-(3-METHOXYPHENYL)-2-THIOUREA

The Thiourea, N-(3-methoxyphenyl)-, with the CAS registry number 37014-08-7, is also known as 1-(3-Methoxyphenyl)thiourea. This chemical's molecular formula is C₈H₁₀N₂OS and molecular weight is 182.24. What's more, its IUPAC name is (3-Methoxyphenyl)thiourea.

Physical properties about Thiourea, N-(3-methoxyphenyl)- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.26; (8)ACD/KOC (pH 7.4): 82.26; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.8 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 53.36 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 21.15×10^-24 cm³; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 54.68 kJ/mol; (21)Boiling Point: 306.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000778 mmHg at 25 °C.

Preparation of Thiourea, N-(3-methoxyphenyl)-: this chemical is prepared by N-(3-Methoxy-phenyl)-N'-benzoyl-thioharnstoff. The reaction needs reagent 5 % aq. NaOH. The reaction time is 8 minutes with reaction temperature of 75-83 °C. The yield is about 86 %.

Uses of Thiourea, N-(3-methoxyphenyl)-: it is used to produce other chemicals. For example, it is used to produce N-(3-Methoxyphenyl)-S-methylisothiourea by heating. The reaction needs solvent Methanol. The yield is about 56 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1cccc(OC)c1)N
(2) InChI: InChI=1/C8H10N2OS/c1-11-7-4-2-3-6(5-7)10-8(9)12/h2-5H,1H3,(H3,9,10,12)
(3) InChIKey: YGMXDSWMRIXNTI-UHFFFAOYAH